(3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine

C12H18N2S2 — CID 115386698

IUPAC(3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)C2SCCSC2C)cn1
InChIInChI=1S/C12H18N2S2/c1-8-3-4-10(7-14-8)11(13)12-9(2)15-5-6-16-12/h3-4,7,9,11-12H,5-6,13H2,1-2H3
InChIKeyZOZXLNKOTOEQNL-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.63
Rot. Bonds2

About (3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine

(3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine (PubChem CID 115386698) has the molecular formula C12H18N2S2 and a molecular weight of 254.42 g/mol. Its IUPAC name is (3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine
PubChem CID115386698
Molecular FormulaC12H18N2S2
Molecular Weight254.42 g/mol
Exact Mass254.09
IUPAC Name(3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)C2SCCSC2C)cn1
InChIInChI=1S/C12H18N2S2/c1-8-3-4-10(7-14-8)11(13)12-9(2)15-5-6-16-12/h3-4,7,9,11-12H,5-6,13H2,1-2H3
InChIKeyZOZXLNKOTOEQNL-UHFFFAOYSA-N
XLogP2.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine with MolForge

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Related Compounds

N-[(3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115387398
(2-methylcyclopropyl)-(6-methyl-3-pyridinyl)methanamine
CID 65422768
N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115388066
2-(5-bromo-2-pyridinyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 104803700
(6-methyl-3-pyridinyl)-(4-propylcyclohexyl)methanamine
CID 65424529
1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine
CID 65351256
2-cyclopentyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 115854888
(3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708450
(5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 103345172
(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine
CID 115854740
1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol
CID 105096815
2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115386577

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of (3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine (CID 115386698) is (3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine is Cc1ccc(C(N)C2SCCSC2C)cn1.
What is the InChIKey of (3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is ZOZXLNKOTOEQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S2/c1-8-3-4-10(7-14-8)11(13)12-9(2)15-5-6-16-12/h3-4,7,9,11-12H,5-6,13H2,1-2H3.
What are the key properties of (3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine?
(3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 254.42 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 115386698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).